GNPS Library Spectrum CCMSLIB00005774466

706.402
706.403
706.404
706.405
706.406
706.407
706.408
706.409
706.410
706.411
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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005774466
Compound NameMassbank:AU596900 Fumonisin B2|Fumonisin B2, Fusarium moniliforme|2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
PIMassbank
Data CollectorMassbank
CAS Number116355-84-1
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesCCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
InChI1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:MASSBANK:accession:CCMSLIB00005774466
Precursor M/Z706.401
Exact Mass0.0
Charge1
AdductM+H
Ion SourceESI
InstrumentqTof
Ion ModePositive
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Library MembershipMASSBANK
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentMassbank:AU596900 Fumonisin B2|Fumonisin B2, Fusarium moniliforme|2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acidMassbankM+HMassbank706.401mwang87N/A2020-11-16 20:03:48.0

Spectrum ID Ratings